Crystallography Open Database

Information card for entry 7134186

Preview

Coordinates	7134186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 Br N2 O4 S
Calculated formula	C13 H17 Br N2 O4 S
Title of publication	High-performance anionic stereogenic-at-cobalt(III) complex/halide salts/oxone catalytic system for enantioselective halocyclization of olefins.
Authors of publication	Fang, Yi-Jun; Wu, Xiao-Bao; Wang, Qi-Ming; Xie, Zu-Kui; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	13
Pages of publication	2814 - 2817
a	10.0954 ± 0.0002 Å
b	6.1839 ± 0.0001 Å
c	13.3904 ± 0.0002 Å
α	90°
β	106.362 ± 0.001°
γ	90°
Cell volume	802.09 ± 0.02 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298037 (current)	2025-03-04	cif/ Updating files of 7134183, 7134184, 7134185, 7134186 Original log message: Adding full bibliography for 7134183--7134186.cif.	7134186.cif
297358	2025-01-17	cif/ Adding structures of 7134183, 7134184, 7134185, 7134186 via cif-deposit CGI script.	7134186.cif